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Journal Articles
- 2012
[j6]Nitin Wadnerkar
, Vijayanand Kalamse, Shyi-Long Lee, Ajay Chaudhari:
Verification of DFT-predicted hydrogen storage capacity of VC3H3 complex using molecular dynamics simulations. J. Comput. Chem. 33(2): 170-174 (2012)- 2010
- [j5]Zdenek Slanina, Filip Uhlík, Shyi-Long Lee, Shigeru Nagase:
Structural and bonding features of Z@C82 (Z=Al, Sc, Y, La) endohedrals. J. Comput. Methods Sci. Eng. 10(3-6): 569-574 (2010) - 2007
- [j4]Zdenek Slanina, Filip Uhlík, Shyi-Long Lee, Ludwik Adamowicz, Shigeru Nagase:
Alkali-metal clusters encapsulated into fullerenes: Computations on Lix@C60. J. Comput. Methods Sci. Eng. 7(5-6): 541-547 (2007) - 2006
- [j3]Zdenek Slanina, Filip Uhlík, Shyi-Long Lee, Ludwik Adamowicz, Shigeru Nagase:
Computations of endohedral fullerenes: The Gibbs energy treatment. J. Comput. Methods Sci. Eng. 6(1-4): 243-250 (2006) - 2005
- [j2]Hui-Yin Wu, Ajay Chaudhari, Shyi-Long Lee:
Theoretical studies on nonlinear optical properties of formaldehyde oligomers by ab initio and density functional theory methods. J. Comput. Chem. 26(15): 1543-1564 (2005) - 1999
- [j1]Rama K. Mishra, Ying-Ting Lin, Shyi-Long Lee:
Quantum Chemical AM1 Treatment of the Circumscribing Algorithm: Fullerene Growth Mechanism. J. Chem. Inf. Comput. Sci. 39(6): 1090-1093 (1999)
Parts in Books or Collections
- 2011
- [p1]Prabhat K. Sahu, Shyi-Long Lee:
On the Development and Application of Net-Sign Graph Theory. Towards an Information Theory of Complex Networks 2011: 127-151
Coauthor Index
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